SCHEMBL6579588

SCHEMBL6579588

CCCC(=O)c1ccc(C=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 8/20 0.62
L3MBTL1 Q9Y468 3/20 0.56
HPGD P15428 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
ALDH1A1 P00352 3/20 0.52
STS P08842 1/20 0.49
HTR7 P34969 1/20 0.47
ALDH3A1 P30838 1/20 0.44
ALDH1A3 P47895 1/20 0.44
NPC1 O15118 1/20 0.42
PARP10 Q53GL7 1/20 0.42
PARP3 Q9Y6F1 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6579608 0.89 HSD17B3 (0.65) HSD17B3L3MBTL1ALDH1A1STSHTR7
SCHEMBL3027932 0.87 HSD17B3 (0.66) HSD17B3L3MBTL1ALDH1A1STSHTR7
SCHEMBL8576829 0.86 HSD17B3 (0.64) HSD17B3L3MBTL1HPGDSMN1; SMN2ALDH1A1
SCHEMBL6839650 0.85 HSD17B3 (0.67) HSD17B3L3MBTL1STSHTR7
SCHEMBL3844202 0.85 HSD17B3 (0.67) HSD17B3L3MBTL1STSHTR7
SCHEMBL9506499 0.85 HSD17B3 (0.67) HSD17B3L3MBTL1STSHTR7
SCHEMBL26254861 0.85 HSD17B3 (0.82) HSD17B3L3MBTL1HPGDSMN1; SMN2ALDH1A1
SCHEMBL6577194 0.83 ALDH1A1 (0.56) HSD17B3L3MBTL1HPGDSMN1; SMN2ALDH1A1
SCHEMBL4904631 0.82 HSD17B3 (0.60) HSD17B3L3MBTL1HPGDSMN1; SMN2ALDH1A1
SCHEMBL8533739 0.82 ALDH1A1 (0.50) HSD17B3L3MBTL1HPGDSMN1; SMN2ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101844972-B Improved method for preparing aromatic ketone CHANGZHOU INST ENG TECH 2013-04-24 CN disclosed
CN-101844972-A Improved method for preparing aromatic ketone CHANGZHOU INST ENG TECH 2010-09-29 CN disclosed
EP-0856007-B1 CYCLOPEPTIDE DERIVATIVES MERCK PATENT GMBH (DE) 2004-04-21 EP disclosed
US-6566491-B2 Used as integrin inhibitors, in particular for the prevention and treatment of circulatory diseases, thrombosis, heart infarct, coronary heart diseases, arteriosclerosis, angiogenic diseases and in tumor therapy. MERCK PATENT GESELLSCHAFT (DE) 2003-05-20 US disclosed
US-20020032306-A1 CYCLOPEPTIDE DERIVATIVES BIOMET DEUTSCHLAND GMBH (DE) 2002-03-14 US disclosed
US-4018507-A Liquid crystal device, composition therefor, and method for preparing the composition AMERICAN MICRO-SYSTEMS, INC. (US) 1977-04-19 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020032306-A1 CYCLOPEPTIDE DERIVATIVES CORO1C, CYCS, CORO1A HSD17B3 943/4885L3MBTL1 2192/4885HPGD 212/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.